2-[6-(1,3-benzoxazol-2-yl)-9-[4-(9,9-dimethylfluoren-2-yl)phenyl]carbazol-3-yl]-7-[2-[6-(1,3-benzoxazol-2-yl)-9-[4-(9,9-dimethylfluoren-3-yl)phenyl]carbazol-3-yl]-1,3-benzoxazol-5-yl]-1,3-benzoxazole

C94H60N6O4 — CID 155366456

IUPAC2-[6-(1,3-benzoxazol-2-yl)-9-[4-(9,9-dimethylfluoren-2-yl)phenyl]carbazol-3-yl]-7-[2-[6-(1,3-benzoxazol-2-yl)-9-[4-(9,9-dimethylfluoren-3-yl)phenyl]carbazol-3-yl]-1,3-benzoxazol-5-yl]-1,3-benzoxazole
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc(-n4c5ccc(-c6nc7ccccc7o6)cc5c5cc(-c6nc7cc(-c8cccc9nc(-c%10ccc%11c(c%10)c%10cc(-c%12nc%13ccccc%13o%12)ccc%10n%11-c%10ccc(-c%11ccc%12c(c%11)C(C)(C)c%11ccccc%11-%12)cc%10)oc89)ccc7o6)ccc54)cc3)ccc21
InChIInChI=1S/C94H60N6O4/c1-93(2)74-18-8-6-15-66(74)68-46-55(29-40-75(68)93)53-24-35-62(36-25-53)99-81-41-30-58(89-95-77-19-9-11-22-85(77)101-89)47-69(81)71-49-60(32-43-83(71)99)91-98-80-52-57(34-45-87(80)103-91)64-16-13-21-79-88(64)104-92(97-79)61-33-44-84-72(50-61)70-48-59(90-96-78-20-10-12-23-86(78)102-90)31-42-82(70)100(84)63-37-26-54(27-38-63)56-28-39-67-65-14-5-7-17-73(65)94(3,4)76(67)51-56/h5-52H,1-4H3
InChIKeyDGTOXVUVWHWBKJ-UHFFFAOYSA-N
MW1337.55 g/mol
LogP24.73
Rot. Bonds9

About 2-[6-(1,3-benzoxazol-2-yl)-9-[4-(9,9-dimethylfluoren-2-yl)phenyl]carbazol-3-yl]-7-[2-[6-(1,3-benzoxazol-2-yl)-9-[4-(9,9-dimethylfluoren-3-yl)phenyl]carbazol-3-yl]-1,3-benzoxazol-5-yl]-1,3-benzoxazole

2-[6-(1,3-benzoxazol-2-yl)-9-[4-(9,9-dimethylfluoren-2-yl)phenyl]carbazol-3-yl]-7-[2-[6-(1,3-benzoxazol-2-yl)-9-[4-(9,9-dimethylfluoren-3-yl)phenyl]carbazol-3-yl]-1,3-benzoxazol-5-yl]-1,3-benzoxazole (PubChem CID 155366456) has the molecular formula C94H60N6O4 and a molecular weight of 1337.55 g/mol. Its IUPAC name is 2-[6-(1,3-benzoxazol-2-yl)-9-[4-(9,9-dimethylfluoren-2-yl)phenyl]carbazol-3-yl]-7-[2-[6-(1,3-benzoxazol-2-yl)-9-[4-(9,9-dimethylfluoren-3-yl)phenyl]carbazol-3-yl]-1,3-benzoxazol-5-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[6-(1,3-benzoxazol-2-yl)-9-[4-(9,9-dimethylfluoren-2-yl)phenyl]carbazol-3-yl]-7-[2-[6-(1,3-benzoxazol-2-yl)-9-[4-(9,9-dimethylfluoren-3-yl)phenyl]carbazol-3-yl]-1,3-benzoxazol-5-yl]-1,3-benzoxazole
PubChem CID155366456
Molecular FormulaC94H60N6O4
Molecular Weight1337.55 g/mol
Exact Mass1336.47
IUPAC Name2-[6-(1,3-benzoxazol-2-yl)-9-[4-(9,9-dimethylfluoren-2-yl)phenyl]carbazol-3-yl]-7-[2-[6-(1,3-benzoxazol-2-yl)-9-[4-(9,9-dimethylfluoren-3-yl)phenyl]carbazol-3-yl]-1,3-benzoxazol-5-yl]-1,3-benzoxazole
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc(-n4c5ccc(-c6nc7ccccc7o6)cc5c5cc(-c6nc7cc(-c8cccc9nc(-c%10ccc%11c(c%10)c%10cc(-c%12nc%13ccccc%13o%12)ccc%10n%11-c%10ccc(-c%11ccc%12c(c%11)C(C)(C)c%11ccccc%11-%12)cc%10)oc89)ccc7o6)ccc54)cc3)ccc21
InChIInChI=1S/C94H60N6O4/c1-93(2)74-18-8-6-15-66(74)68-46-55(29-40-75(68)93)53-24-35-62(36-25-53)99-81-41-30-58(89-95-77-19-9-11-22-85(77)101-89)47-69(81)71-49-60(32-43-83(71)99)91-98-80-52-57(34-45-87(80)103-91)64-16-13-21-79-88(64)104-92(97-79)61-33-44-84-72(50-61)70-48-59(90-96-78-20-10-12-23-86(78)102-90)31-42-82(70)100(84)63-37-26-54(27-38-63)56-28-39-67-65-14-5-7-17-73(65)94(3,4)76(67)51-56/h5-52H,1-4H3
InChIKeyDGTOXVUVWHWBKJ-UHFFFAOYSA-N
XLogP24.73
TPSA113.98 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms104
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001337.55
LogP ≤ 524.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2-[6-(1,3-benzoxazol-2-yl)-9-[4-(9,9-dimethylfluoren-2-yl)phenyl]carbazol-3-yl]-7-[2-[6-(1,3-benzoxazol-2-yl)-9-[4-(9,9-dimethylfluoren-3-yl)phenyl]carbazol-3-yl]-1,3-benzoxazol-5-yl]-1,3-benzoxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(1,3-benzoxazol-2-yl)-9-[4-(9,9-dimethylfluoren-2-yl)phenyl]carbazol-3-yl]-7-[2-[6-(1,3-benzoxazol-2-yl)-9-[4-(9,9-dimethylfluoren-3-yl)phenyl]carbazol-3-yl]-1,3-benzoxazol-5-yl]-1,3-benzoxazole?
The IUPAC name of 2-[6-(1,3-benzoxazol-2-yl)-9-[4-(9,9-dimethylfluoren-2-yl)phenyl]carbazol-3-yl]-7-[2-[6-(1,3-benzoxazol-2-yl)-9-[4-(9,9-dimethylfluoren-3-yl)phenyl]carbazol-3-yl]-1,3-benzoxazol-5-yl]-1,3-benzoxazole (CID 155366456) is 2-[6-(1,3-benzoxazol-2-yl)-9-[4-(9,9-dimethylfluoren-2-yl)phenyl]carbazol-3-yl]-7-[2-[6-(1,3-benzoxazol-2-yl)-9-[4-(9,9-dimethylfluoren-3-yl)phenyl]carbazol-3-yl]-1,3-benzoxazol-5-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-[6-(1,3-benzoxazol-2-yl)-9-[4-(9,9-dimethylfluoren-2-yl)phenyl]carbazol-3-yl]-7-[2-[6-(1,3-benzoxazol-2-yl)-9-[4-(9,9-dimethylfluoren-3-yl)phenyl]carbazol-3-yl]-1,3-benzoxazol-5-yl]-1,3-benzoxazole?
The canonical SMILES for 2-[6-(1,3-benzoxazol-2-yl)-9-[4-(9,9-dimethylfluoren-2-yl)phenyl]carbazol-3-yl]-7-[2-[6-(1,3-benzoxazol-2-yl)-9-[4-(9,9-dimethylfluoren-3-yl)phenyl]carbazol-3-yl]-1,3-benzoxazol-5-yl]-1,3-benzoxazole is CC1(C)c2ccccc2-c2cc(-c3ccc(-n4c5ccc(-c6nc7ccccc7o6)cc5c5cc(-c6nc7cc(-c8cccc9nc(-c%10ccc%11c(c%10)c%10cc(-c%12nc%13ccccc%13o%12)ccc%10n%11-c%10ccc(-c%11ccc%12c(c%11)C(C)(C)c%11ccccc%11-%12)cc%10)oc89)ccc7o6)ccc54)cc3)ccc21.
What is the InChIKey of 2-[6-(1,3-benzoxazol-2-yl)-9-[4-(9,9-dimethylfluoren-2-yl)phenyl]carbazol-3-yl]-7-[2-[6-(1,3-benzoxazol-2-yl)-9-[4-(9,9-dimethylfluoren-3-yl)phenyl]carbazol-3-yl]-1,3-benzoxazol-5-yl]-1,3-benzoxazole?
The InChIKey is DGTOXVUVWHWBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C94H60N6O4/c1-93(2)74-18-8-6-15-66(74)68-46-55(29-40-75(68)93)53-24-35-62(36-25-53)99-81-41-30-58(89-95-77-19-9-11-22-85(77)101-89)47-69(81)71-49-60(32-43-83(71)99)91-98-80-52-57(34-45-87(80)103-91)64-16-13-21-79-88(64)104-92(97-79)61-33-44-84-72(50-61)70-48-59(90-96-78-20-10-12-23-86(78)102-90)31-42-82(70)100(84)63-37-26-54(27-38-63)56-28-39-67-65-14-5-7-17-73(65)94(3,4)76(67)51-56/h5-52H,1-4H3.
What are the key properties of 2-[6-(1,3-benzoxazol-2-yl)-9-[4-(9,9-dimethylfluoren-2-yl)phenyl]carbazol-3-yl]-7-[2-[6-(1,3-benzoxazol-2-yl)-9-[4-(9,9-dimethylfluoren-3-yl)phenyl]carbazol-3-yl]-1,3-benzoxazol-5-yl]-1,3-benzoxazole?
2-[6-(1,3-benzoxazol-2-yl)-9-[4-(9,9-dimethylfluoren-2-yl)phenyl]carbazol-3-yl]-7-[2-[6-(1,3-benzoxazol-2-yl)-9-[4-(9,9-dimethylfluoren-3-yl)phenyl]carbazol-3-yl]-1,3-benzoxazol-5-yl]-1,3-benzoxazole has a molecular weight of 1337.55 g/mol, XLogP of 24.73, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(1,3-benzoxazol-2-yl)-9-[4-(9,9-dimethylfluoren-2-yl)phenyl]carbazol-3-yl]-7-[2-[6-(1,3-benzoxazol-2-yl)-9-[4-(9,9-dimethylfluoren-3-yl)phenyl]carbazol-3-yl]-1,3-benzoxazol-5-yl]-1,3-benzoxazole is sourced from PubChem (CID 155366456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).